Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | SLC13A5 | Q86YT5 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | VDR | P11473 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4558656 | 0.87 | HTT (0.49) | ALDH1A1KIF11HDAC1DRD2DRD4 | |
| SCHEMBL1076574 | 0.84 | TSHR (0.50) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| SCHEMBL504013 | 0.83 | ALDH1A1 (0.57) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| SCHEMBL8905858 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| SCHEMBL11042477 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| SCHEMBL29140771 | 0.82 | ALDH1A1 (0.49) | ALDH1A1TSHRHDAC1RIPK1MAPK1 | |
| SCHEMBL10925808 | 0.82 | LMNA (0.51) | TSHRDRD2DRD4OPRM1DRD3 | |
| Hydrogen Sulfide SCHEMBL28874622 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| Hydrogen Sulfide SCHEMBL27877649 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRKIF11HDAC1DRD2 | |
| SCHEMBL10926581 | 0.81 | OPRM1 (0.55) | ALDH1A1TSHRKIF11DRD2DRD4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010054319-A2 | PENICILLIN-G ACYLASES | CODEXIS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |